≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| パブケム・シド | 508809176 |
|---|---|
| カノニカル・スマイル | CC1(CCC(=O)CC1)C |
| IUPAC Name | 4,4-dimethylcyclohexan-1-one |
| InChIKey | PXQMSTLNSHMSJB-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3 |
| 異性体SMILES | CC1(CCC(=O)CC1)C |
| WGKドイツ | 2 |
| 分子量 | 126.2 |
| Reaxy-Rn | 385783 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385783&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| 分類 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Cyclic ketones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 J2211948 | Certificate of Analysis | Jul 03, 2026 | D120758 |
| J2211949 | Certificate of Analysis | Jul 03, 2026 | D120758 |
| J2211950 | Certificate of Analysis | Jul 03, 2026 | D120758 |
| J2211951 | Certificate of Analysis | Jul 03, 2026 | D120758 |
| C1311053 | Certificate of Analysis | Nov 04, 2024 | D120758 |
| 溶解度 | Soluble in Methanol |
|---|---|
| 沸点（°C） | 73°C |
| 融点（°C） | 44°C |
| 分子量 | 126.200 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 126.104 Da |
| Monoisotopic Mass | 126.104 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 113.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zehao Li, Wanying Wang, Lulu Zhang, Jinchu Yang, Yongming Xu, Zhenzhen Huang, Wanzeng Li, Shiying Wang, Jingwen Yang, Zhifeng Zhang. (2025) Identification, Characterization, and Mechanism of the Ene Reductase KlebER3 from Klebsiella sp. O852 for the Production of Dihydrocarvone. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:41329653] [10.1021/acs.jafc.5c10217] |
